N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H23N3 — CID 61215276

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCn1ccnc1CCNC1CCCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-20-13-12-19-17(20)10-11-18-16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,12-13,16,18H,3,5,7,9-11H2,1H3
InChIKeyGXZLTJUNTFZDBU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.02
Rot. Bonds4

About N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 61215276) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID61215276
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCn1ccnc1CCNC1CCCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-20-13-12-19-17(20)10-11-18-16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,12-13,16,18H,3,5,7,9-11H2,1H3
InChIKeyGXZLTJUNTFZDBU-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841791
N-(2-pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43193645
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
N-[2-(1-methylimidazol-2-yl)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 61211656
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 61211277
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2-[(1-methylimidazol-2-yl)methyl]-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83209495
N-[2-(4-methylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63455441
2,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81141012
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 61215276) is N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is Cn1ccnc1CCNC1CCCCc2ccccc21.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is GXZLTJUNTFZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20-13-12-19-17(20)10-11-18-16-9-5-3-7-14-6-2-4-8-15(14)16/h2,4,6,8,12-13,16,18H,3,5,7,9-11H2,1H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 269.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 61215276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).